4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C19H11ClN4O4 — CID 1363694

IUPAC4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11ClN4O4/c20-14-5-3-11(8-16(14)24(26)27)18(25)22-13-4-6-17-15(9-13)23-19(28-17)12-2-1-7-21-10-12/h1-10H,(H,22,25)
InChIKeyZEAFBECCTFZQIK-UHFFFAOYSA-N
MW394.77 g/mol
LogP4.70
Rot. Bonds4

About 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1363694) has the molecular formula C19H11ClN4O4 and a molecular weight of 394.77 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1363694
Molecular FormulaC19H11ClN4O4
Molecular Weight394.77 g/mol
Exact Mass394.05
IUPAC Name4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H11ClN4O4/c20-14-5-3-11(8-16(14)24(26)27)18(25)22-13-4-6-17-15(9-13)23-19(28-17)12-2-1-7-21-10-12/h1-10H,(H,22,25)
InChIKeyZEAFBECCTFZQIK-UHFFFAOYSA-N
XLogP4.70
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3970045
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
4-chloro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 2269824
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
CID 1248754
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
4-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 2286305
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 1100251
3-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)-4-pyrrolidin-1-ylbenzamide
CID 4221271
5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1363694) is 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is ZEAFBECCTFZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O4/c20-14-5-3-11(8-16(14)24(26)27)18(25)22-13-4-6-17-15(9-13)23-19(28-17)12-2-1-7-21-10-12/h1-10H,(H,22,25).
What are the key properties of 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 394.77 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).